SCHEMBL3799171

SCHEMBL3799171

O=C(c1cccnc1)N1CCC(Oc2ccccc2Nc2ncnc3sccc23)C1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 4/20 0.43
ALDH1A1 P00352 4/20 0.41
HTT P42858 2/20 0.41
PDGFRB P09619 1/20 0.40
KDR P35968 1/20 0.40
PIK3CA P42336 3/20 0.40
KMT2A Q03164 2/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
KDM4E B2RXH2 1/20 0.40
MAPT P10636 1/20 0.40
MAPK1 P28482 1/20 0.40
GAA P10253 1/20 0.39
MEN1 O00255 1/20 0.39
NAMPT P43490 2/20 0.39
PKM P14618 1/20 0.39
EGFR P00533 2/20 0.39
ERBB2 P04626 1/20 0.39
VNN1 O95497 1/20 0.39
LMNA P02545 1/20 0.38
NPC1 O15118 1/20 0.38

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL3795253 0.92 MEN1 (0.41) PIK3CDALDH1A1HTTKDRPIK3CA
SCHEMBL3795832 0.86 MEN1 (0.43) PIK3CDALDH1A1HTTPIK3CAKMT2A
SCHEMBL3800566 0.85 PIK3CD (0.45) PIK3CDALDH1A1HTTPDGFRBKDR
SCHEMBL3800042 0.85 EGFR (0.47) PIK3CDALDH1A1HTTKDRPIK3CA
SCHEMBL3802210 0.83 MEN1 (0.44) PIK3CDKDRPIK3CAKMT2ASMN1; SMN2
SCHEMBL3799620 0.83 MEN1 (0.44) ALDH1A1HTTKDRKMT2ASMN1; SMN2
SCHEMBL3803006 0.81 PIK3CD (0.46) PIK3CDPIK3CAKMT2AMEN1EGFR
SCHEMBL3805713 0.77 PIK3CD (0.40) PIK3CDALDH1A1HTTPDGFRBPIK3CA
SCHEMBL3801046 0.76 EGFR (0.46) HTTKMT2ASMN1; SMN2MEN1EGFR
SCHEMBL3798859 0.76 PIP4K2A (0.44) HTTKMT2ASMN1; SMN2MAPTMEN1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100143341-A1 THIENOPYRIMIDINES FOR PHARMACEUTICAL COMPOSITIONS DEVELOGEN AKTIENGESELLSCHAFT (DE) 2010-06-10 US claimed
EP-1899353-A1 THIENOPYRIMIDINES FOR PHARMACEUTICAL COMPOSITIONS DeveloGen Aktiengesellschaft (DE) 2008-03-19 EP claimed
WO-2006136402-A1 THIENOPYRIMIDINES FOR PHARMACEUTICAL COMPOSITIONS DEVELOGEN AKTIENGESELLSCHAFT (DE) 2006-12-28 WO claimed
US-20100143341-A1 THIENOPYRIMIDINES FOR PHARMACEUTICAL COMPOSITIONS DEVELOGEN AKTIENGESELLSCHAFT (DE) 2010-06-10 US disclosed
EP-1899353-A1 THIENOPYRIMIDINES FOR PHARMACEUTICAL COMPOSITIONS DeveloGen Aktiengesellschaft (DE) 2008-03-19 EP disclosed
WO-2006136402-A1 THIENOPYRIMIDINES FOR PHARMACEUTICAL COMPOSITIONS DEVELOGEN AKTIENGESELLSCHAFT (DE) 2006-12-28 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20100143341-A1 THIENOPYRIMIDINES FOR PHARMACEUTICAL COMPOSITIONS DTYMK, CMPK1, PDXK PIK3CD 378/4885ALDH1A1 3283/4885HTT 3454/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.